Chemical Properties of 1,2,4-Methenoazulene, decahydro-1,5,5,8a-tetramethyl-, [1S-(1«alpha»,2«alpha»,3a«beta»,4«alpha»,8a«beta»,9R*)]- (CAS 1137-12-8)

InChI

InChI=1S/C15H24/c1-13(2)6-5-7-14(3)9-8-10-12(11(9)13)15(10,14)4/h9-12H,5-8H2,1-4H3

InChI Key

WCEIQUQVIOGRBF-UHFFFAOYSA-N

Formula

C15H24

SMILES

CC1(C)CCCC2(C)C3CC4C(C31)C42C

Molecular Weight¹

204.35

CAS

1137-12-8

Other Names

• Longicyclene
• 1,2,4-Methenoazulene, decahydro-1,5,5,8a-tetramethyl-, [1S-(1«alpha»,2«alpha»,3a«beta»,4«alpha»,8a«beta»,9R)]-
• «alpha»-Longicyclene
• [1S-(1«alpha»,2«alpha»,3a«beta»,4«alpha»,8a«beta»,9R*)]-decahydro-1,5,5,8a-tetramethyl-1,2,4-methenoazulene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	13.56	kJ/mol	Joback Calculated Property
logPoct/wat	4.105		Crippen Calculated Property
McVol	178.770	ml/mol	McGowan Calculated Property
Inp	[1362.00; 1409.00]
Inp	Outlier 1399.10		NIST
Inp	Outlier 1399.10		NIST
Inp	Outlier 1409.00		NIST
Inp	1371.00		NIST
Inp	1374.00		NIST
Inp	1368.00		NIST
Inp	1372.00		NIST
Inp	1376.00		NIST
Inp	1377.20		NIST
Inp	1362.00		NIST
Inp	1372.00		NIST
Inp	1371.00		NIST
Inp	1375.00		NIST
Inp	1376.00		NIST
Inp	1392.00		NIST
Inp	1371.00		NIST
Inp	1371.00		NIST
Inp	1374.00		NIST
Inp	1371.00		NIST
Inp	1373.00		NIST
Inp	1370.00		NIST
Inp	1368.00		NIST
Inp	Outlier 1401.00		NIST
Inp	1370.00		NIST
Inp	1374.00		NIST
Inp	1376.00		NIST
Inp	1378.00		NIST
Inp	1374.00		NIST
Inp	1380.00		NIST
Inp	1378.00		NIST
Inp	1378.00		NIST
Inp	1372.00		NIST
Inp	1371.00		NIST
Inp	1370.00		NIST
I	[1494.00; 1580.00]
I	1558.50		NIST
I	1558.50		NIST
I	1580.00		NIST
I	1554.50		NIST
I	1519.00		NIST
I	1519.00		NIST
I	1554.00		NIST
I	1496.00		NIST
I	1494.00		NIST
I	1497.00		NIST
I	1554.00		NIST
I	1558.50		NIST
I	1519.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[503.97; 622.26]	J/mol×K	[552.00; 775.96]
Cp,gas	503.97	J/mol×K	552.00	Joback Calculated Property
Cp,gas	526.89	J/mol×K	589.33	Joback Calculated Property
Cp,gas	547.94	J/mol×K	626.65	Joback Calculated Property
Cp,gas	567.56	J/mol×K	663.98	Joback Calculated Property
Cp,gas	586.20	J/mol×K	701.31	Joback Calculated Property
Cp,gas	604.29	J/mol×K	738.63	Joback Calculated Property
Cp,gas	622.26	J/mol×K	775.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2,4-Methenoazulene, decahydro-1,5,5,8a-tetramethyl-, [1S-(1«alpha»,2«alpha»,3a«beta»,4«alpha»,8a«beta»,9R*)]-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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